N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide

C19H15ClF3N5O2S — CID 141025171

IUPACN-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N5O2S/c1-10(11-2-4-14(20)13(6-11)19(21,22)23)26-18(30)27-12-3-5-16(24-7-12)28-17(29)15-8-31-9-25-15/h2-10H,1H3,(H,24,28,29)(H2,26,27,30)
InChIKeyMKTDJXPFBYLMTN-UHFFFAOYSA-N
MW469.88 g/mol
LogP5.35
Rot. Bonds5

About N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 141025171) has the molecular formula C19H15ClF3N5O2S and a molecular weight of 469.88 g/mol. Its IUPAC name is N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID141025171
Molecular FormulaC19H15ClF3N5O2S
Molecular Weight469.88 g/mol
Exact Mass469.06
IUPAC NameN-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N5O2S/c1-10(11-2-4-14(20)13(6-11)19(21,22)23)26-18(30)27-12-3-5-16(24-7-12)28-17(29)15-8-31-9-25-15/h2-10H,1H3,(H,24,28,29)(H2,26,27,30)
InChIKeyMKTDJXPFBYLMTN-UHFFFAOYSA-N
XLogP5.35
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.88
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-[5-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 6915709
1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380912
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144191
[6-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamic acid
CID 118380861
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113022012
N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030268
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 141025171) is N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MKTDJXPFBYLMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2S/c1-10(11-2-4-14(20)13(6-11)19(21,22)23)26-18(30)27-12-3-5-16(24-7-12)28-17(29)15-8-31-9-25-15/h2-10H,1H3,(H,24,28,29)(H2,26,27,30).
What are the key properties of N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 469.88 g/mol, XLogP of 5.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).